(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine

C18H24N4 — CID 146473952

IUPAC(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
SMILESc1cc(-c2ccc([C@H]3CC3NCC3CCNCC3)cc2)[nH]n1
InChIInChI=1S/C18H24N4/c1-3-15(17-7-10-21-22-17)4-2-14(1)16-11-18(16)20-12-13-5-8-19-9-6-13/h1-4,7,10,13,16,18-20H,5-6,8-9,11-12H2,(H,21,22)/t16-,18?/m1/s1
InChIKeyBLXYCLXIDWUQPD-PYUWXLGESA-N
MW296.42 g/mol
LogP2.52
Rot. Bonds5

About (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine

(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine (PubChem CID 146473952) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
PubChem CID146473952
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine
SMILESc1cc(-c2ccc([C@H]3CC3NCC3CCNCC3)cc2)[nH]n1
InChIInChI=1S/C18H24N4/c1-3-15(17-7-10-21-22-17)4-2-14(1)16-11-18(16)20-12-13-5-8-19-9-6-13/h1-4,7,10,13,16,18-20H,5-6,8-9,11-12H2,(H,21,22)/t16-,18?/m1/s1
InChIKeyBLXYCLXIDWUQPD-PYUWXLGESA-N
XLogP2.52
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1H-pyrazole
CID 17155
5-benzhydryl-1H-pyrazole
CID 2806015
4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
CID 11738219
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
5-(4-methylphenyl)-1H-pyrazole
CID 2725023
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
5-benzyl-1H-pyrazole
CID 4416282
[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 16658020
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine (CID 146473952) is (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine is c1cc(-c2ccc([C@H]3CC3NCC3CCNCC3)cc2)[nH]n1.
What is the InChIKey of (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
The InChIKey is BLXYCLXIDWUQPD-PYUWXLGESA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15(17-7-10-21-22-17)4-2-14(1)16-11-18(16)20-12-13-5-8-19-9-6-13/h1-4,7,10,13,16,18-20H,5-6,8-9,11-12H2,(H,21,22)/t16-,18?/m1/s1.
What are the key properties of (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine?
(2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine has a molecular weight of 296.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(piperidin-4-ylmethyl)-2-[4-(1H-pyrazol-5-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 146473952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).